<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">13080</id>
  <title nil="true"/>
  <common-name>Silane, triethoxy(2,4,4-trimethylpentyl)-</common-name>
  <description nil="true"/>
  <cas>35435-21-3</cas>
  <pubchem-id>169694</pubchem-id>
  <chemical-formula>C14H32O3Si</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-19T03:47:41Z</created-at>
  <updated-at type="dateTime">2026-04-05T03:55:41Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCO[Si](CC(C)CC(C)(C)C)(OCC)OCC</moldb-smiles>
  <moldb-formula>C14H32O3Si</moldb-formula>
  <moldb-inchi>InChI=1S/C14H32O3Si/c1-8-15-18(16-9-2,17-10-3)12-13(4)11-14(5,6)7/h13H,8-12H2,1-7H3</moldb-inchi>
  <moldb-inchikey>UWZSHGZRSZICIW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">276.492</moldb-average-mass>
  <moldb-mono-mass type="decimal">276.212071425</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM011975</chemdb-id>
  <dsstox-id>DTXSID70865769</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00006318</stoff-ident-id>
  <susdat-id>NS00058115</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>27.69</moldb-polar-surface-area>
  <moldb-refractivity>72.8055</moldb-refractivity>
  <moldb-polarizability>32.635704782615086</moldb-polarizability>
  <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>-3.780434703634852</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>5.61</moldb-alogps-logp>
  <moldb-alogps-logs>-4.92</moldb-alogps-logs>
  <moldb-alogps-solubility>3.30e-03 g/l</moldb-alogps-solubility>
</compound>
